5-(4-chlorophenyl)-1H-3-benzazepin-2-amine

C16H13ClN2 — CID 12942725

IUPAC5-(4-chlorophenyl)-1H-3-benzazepin-2-amine
SMILESNC1=NC=C(c2ccc(Cl)cc2)c2ccccc2C1
InChIInChI=1S/C16H13ClN2/c17-13-7-5-11(6-8-13)15-10-19-16(18)9-12-3-1-2-4-14(12)15/h1-8,10H,9H2,(H2,18,19)
InChIKeyAATKRMGMYXGMNQ-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.64
Rot. Bonds1

About 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine

5-(4-chlorophenyl)-1H-3-benzazepin-2-amine (PubChem CID 12942725) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1H-3-benzazepin-2-amine
PubChem CID12942725
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name5-(4-chlorophenyl)-1H-3-benzazepin-2-amine
SMILESNC1=NC=C(c2ccc(Cl)cc2)c2ccccc2C1
InChIInChI=1S/C16H13ClN2/c17-13-7-5-11(6-8-13)15-10-19-16(18)9-12-3-1-2-4-14(12)15/h1-8,10H,9H2,(H2,18,19)
InChIKeyAATKRMGMYXGMNQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine (CID 12942725) is 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine is NC1=NC=C(c2ccc(Cl)cc2)c2ccccc2C1.
What is the InChIKey of 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine?
The InChIKey is AATKRMGMYXGMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-7-5-11(6-8-13)15-10-19-16(18)9-12-3-1-2-4-14(12)15/h1-8,10H,9H2,(H2,18,19).
What are the key properties of 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine?
5-(4-chlorophenyl)-1H-3-benzazepin-2-amine has a molecular weight of 268.75 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1H-3-benzazepin-2-amine is sourced from PubChem (CID 12942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).